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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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| You are here: Home > Ions > Energy > Calculated Ionization Energy OR Calculated > Energy > Ion > Calculated Ionization Energy | |
| Cation | Neutral | Difference | Vertical | Difference | |||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
| Hartrees | -107.0002290 | -107.4093417 | 0.4091127 | 0.0000000 | 107.4093417 | ||||||
| cm-1 | 156.1 | 452.8 | -296.6 | ||||||||
| eV | -2911.624 | 0.019 | -2911.605 | -2922.757 | 0.056 | -2922.701 | 11.133 | -0.037 | 11.096 | 0.000 | 2922.757 |